200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 17390-07-7
17390-07-7 | 1H-Pyrrolizin-1-one, hexahydro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 17390-07-7 Catalog No: AG001Z9X MDL No:
Product Description
Catalog Number:
AG001Z9X
Chemical Name:
1H-Pyrrolizin-1-one, hexahydro-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
17390-07-7
Molecular Formula:
C13H14N4O8
Molecular Weight:
354.2723
IUPAC Name:
2,3,5,6,7,8-hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
InChI:
InChI=1S/C7H11NO.C6H3N3O7/c9-7-3-5-8-4-1-2-6(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6H,1-5H2;1-2,10H
InChI Key:
HMXOCEBEADFWJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.O=C1CCN2C1CCC2
NSC Number:
680333
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.081g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.275g/mol
Monoisotopic Mass:
354.081g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.